USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.8!) USER MOD Set 1.2: A 49 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -60:sc= -1.09 USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -0.29 (180deg=-0.959) USER MOD Single : A 16 SER OG : rot 31:sc= 1.22 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.25 USER MOD Single : A 23 ASN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= 0.414 (180deg=0.158) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.0681 USER MOD Single : A 38 ASN : amide:sc= -1.46! C(o=-1.5!,f=-8.5!) USER MOD Single : A 40 ASN : amide:sc= -2.84 K(o=-2.8,f=-7!) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= -0.0207 (180deg=-0.555) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.329) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 8.074 11.262 3.933 1.00 0.00 N ATOM 23 CA ASP A 2 8.664 10.824 2.672 1.00 0.00 C ATOM 24 C ASP A 2 8.273 9.383 2.341 1.00 0.00 C ATOM 25 O ASP A 2 8.499 8.913 1.227 1.00 0.00 O ATOM 26 CB ASP A 2 10.188 10.947 2.729 1.00 0.00 C ATOM 27 CG ASP A 2 10.771 10.348 3.993 1.00 0.00 C ATOM 28 OD1 ASP A 2 10.914 9.108 4.051 1.00 0.00 O ATOM 29 OD2 ASP A 2 11.088 11.117 4.925 1.00 0.00 O ATOM 0 HA ASP A 2 8.277 11.470 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.622 10.450 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.467 11.999 2.667 1.00 0.00 H new ATOM 34 N THR A 3 7.687 8.687 3.312 1.00 0.00 N ATOM 35 CA THR A 3 7.268 7.302 3.118 1.00 0.00 C ATOM 36 C THR A 3 6.402 7.154 1.868 1.00 0.00 C ATOM 37 O THR A 3 6.354 6.086 1.257 1.00 0.00 O ATOM 38 CB THR A 3 6.499 6.809 4.344 1.00 0.00 C ATOM 39 OG1 THR A 3 7.293 6.921 5.512 1.00 0.00 O ATOM 40 CG2 THR A 3 6.050 5.367 4.232 1.00 0.00 C ATOM 0 H THR A 3 7.492 9.060 4.241 1.00 0.00 H new ATOM 0 HA THR A 3 8.164 6.696 2.984 1.00 0.00 H new ATOM 0 HB THR A 3 5.615 7.444 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.783 6.602 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.511 5.083 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.395 5.256 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.921 4.723 4.111 1.00 0.00 H new ATOM 48 N CYS A 4 5.718 8.231 1.494 1.00 0.00 N ATOM 49 CA CYS A 4 4.854 8.218 0.319 1.00 0.00 C ATOM 50 C CYS A 4 5.673 8.219 -0.973 1.00 0.00 C ATOM 51 O CYS A 4 5.129 8.018 -2.059 1.00 0.00 O ATOM 52 CB CYS A 4 3.914 9.426 0.343 1.00 0.00 C ATOM 53 SG CYS A 4 2.170 9.003 0.659 1.00 0.00 S ATOM 0 H CYS A 4 5.745 9.123 1.988 1.00 0.00 H new ATOM 0 HA CYS A 4 4.265 7.302 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.253 10.122 1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.983 9.946 -0.612 1.00 0.00 H new ATOM 58 N ARG A 5 6.977 8.451 -0.852 1.00 0.00 N ATOM 59 CA ARG A 5 7.858 8.480 -2.013 1.00 0.00 C ATOM 60 C ARG A 5 8.426 7.094 -2.312 1.00 0.00 C ATOM 61 O ARG A 5 8.807 6.802 -3.447 1.00 0.00 O ATOM 62 CB ARG A 5 8.997 9.476 -1.788 1.00 0.00 C ATOM 63 CG ARG A 5 8.528 10.919 -1.698 1.00 0.00 C ATOM 64 CD ARG A 5 9.241 11.672 -0.586 1.00 0.00 C ATOM 65 NE ARG A 5 8.509 12.871 -0.181 1.00 0.00 N ATOM 66 CZ ARG A 5 8.597 14.043 -0.806 1.00 0.00 C ATOM 67 NH1 ARG A 5 9.376 14.180 -1.871 1.00 0.00 N ATOM 68 NH2 ARG A 5 7.899 15.082 -0.366 1.00 0.00 N ATOM 0 H ARG A 5 7.446 8.621 0.038 1.00 0.00 H new ATOM 0 HA ARG A 5 7.269 8.798 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.522 9.214 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.715 9.385 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.706 11.420 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.453 10.942 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.366 11.015 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.240 11.952 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 5 7.893 12.805 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.913 13.384 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.438 15.081 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.296 14.982 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.966 15.981 -0.844 1.00 0.00 H new ATOM 82 N LEU A 6 8.482 6.243 -1.292 1.00 0.00 N ATOM 83 CA LEU A 6 9.004 4.890 -1.455 1.00 0.00 C ATOM 84 C LEU A 6 7.866 3.872 -1.527 1.00 0.00 C ATOM 85 O LEU A 6 7.231 3.574 -0.516 1.00 0.00 O ATOM 86 CB LEU A 6 9.947 4.537 -0.300 1.00 0.00 C ATOM 87 CG LEU A 6 9.550 5.104 1.064 1.00 0.00 C ATOM 88 CD1 LEU A 6 9.942 4.145 2.176 1.00 0.00 C ATOM 89 CD2 LEU A 6 10.194 6.466 1.279 1.00 0.00 C ATOM 0 H LEU A 6 8.173 6.465 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 6 9.561 4.855 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.007 3.452 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.947 4.894 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 6 8.467 5.227 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.651 4.566 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.435 3.191 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.021 3.989 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.902 6.857 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.279 6.366 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.863 7.152 0.499 1.00 0.00 H new ATOM 101 N PRO A 7 7.587 3.323 -2.725 1.00 0.00 N ATOM 102 CA PRO A 7 6.515 2.339 -2.910 1.00 0.00 C ATOM 103 C PRO A 7 6.791 1.031 -2.174 1.00 0.00 C ATOM 104 O PRO A 7 7.929 0.743 -1.802 1.00 0.00 O ATOM 105 CB PRO A 7 6.491 2.106 -4.423 1.00 0.00 C ATOM 106 CG PRO A 7 7.848 2.503 -4.893 1.00 0.00 C ATOM 107 CD PRO A 7 8.289 3.617 -3.988 1.00 0.00 C ATOM 0 HA PRO A 7 5.567 2.697 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.281 1.063 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.716 2.704 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.540 1.662 -4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.821 2.832 -5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.371 3.624 -3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.011 4.593 -4.386 1.00 0.00 H new ATOM 115 N SER A 8 5.740 0.243 -1.966 1.00 0.00 N ATOM 116 CA SER A 8 5.865 -1.035 -1.273 1.00 0.00 C ATOM 117 C SER A 8 5.661 -2.203 -2.231 1.00 0.00 C ATOM 118 O SER A 8 5.068 -2.048 -3.299 1.00 0.00 O ATOM 119 CB SER A 8 4.853 -1.119 -0.130 1.00 0.00 C ATOM 120 OG SER A 8 5.255 -0.321 0.969 1.00 0.00 O ATOM 0 H SER A 8 4.792 0.467 -2.268 1.00 0.00 H new ATOM 0 HA SER A 8 6.874 -1.098 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.875 -0.792 -0.482 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.746 -2.156 0.190 1.00 0.00 H new ATOM 0 HG SER A 8 6.124 -0.632 1.299 1.00 0.00 H new ATOM 126 N ASP A 9 6.151 -3.374 -1.837 1.00 0.00 N ATOM 127 CA ASP A 9 6.018 -4.573 -2.655 1.00 0.00 C ATOM 128 C ASP A 9 4.936 -5.488 -2.092 1.00 0.00 C ATOM 129 O ASP A 9 4.699 -5.511 -0.887 1.00 0.00 O ATOM 130 CB ASP A 9 7.351 -5.321 -2.725 1.00 0.00 C ATOM 131 CG ASP A 9 7.638 -5.861 -4.113 1.00 0.00 C ATOM 132 OD1 ASP A 9 6.672 -6.178 -4.838 1.00 0.00 O ATOM 133 OD2 ASP A 9 8.829 -5.967 -4.474 1.00 0.00 O ATOM 0 H ASP A 9 6.644 -3.518 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 9 5.730 -4.270 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.157 -4.651 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.340 -6.146 -2.012 1.00 0.00 H new ATOM 138 N ARG A 10 4.278 -6.232 -2.970 1.00 0.00 N ATOM 139 CA ARG A 10 3.217 -7.143 -2.557 1.00 0.00 C ATOM 140 C ARG A 10 3.757 -8.531 -2.234 1.00 0.00 C ATOM 141 O ARG A 10 2.999 -9.426 -1.863 1.00 0.00 O ATOM 142 CB ARG A 10 2.167 -7.239 -3.657 1.00 0.00 C ATOM 143 CG ARG A 10 2.741 -7.630 -5.010 1.00 0.00 C ATOM 144 CD ARG A 10 2.386 -9.059 -5.378 1.00 0.00 C ATOM 145 NE ARG A 10 1.054 -9.149 -5.969 1.00 0.00 N ATOM 146 CZ ARG A 10 0.721 -10.015 -6.928 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.611 -10.888 -7.388 1.00 0.00 N ATOM 148 NH2 ARG A 10 -0.508 -10.014 -7.427 1.00 0.00 N ATOM 0 H ARG A 10 4.460 -6.223 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 10 2.767 -6.743 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.413 -7.970 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.660 -6.278 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.363 -6.952 -5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.825 -7.517 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.123 -9.448 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.432 -9.686 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 10 0.334 -8.511 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.557 -10.900 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.348 -11.546 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.200 -9.351 -7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.761 -10.676 -8.160 1.00 0.00 H new ATOM 162 N GLY A 11 5.067 -8.706 -2.366 1.00 0.00 N ATOM 163 CA GLY A 11 5.674 -9.989 -2.074 1.00 0.00 C ATOM 164 C GLY A 11 4.945 -11.158 -2.707 1.00 0.00 C ATOM 165 O GLY A 11 3.980 -11.674 -2.142 1.00 0.00 O ATOM 0 H GLY A 11 5.718 -7.982 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.706 -9.982 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.704 -10.131 -0.994 1.00 0.00 H new ATOM 169 N ARG A 12 5.416 -11.593 -3.870 1.00 0.00 N ATOM 170 CA ARG A 12 4.807 -12.725 -4.558 1.00 0.00 C ATOM 171 C ARG A 12 4.883 -13.980 -3.689 1.00 0.00 C ATOM 172 O ARG A 12 4.175 -14.957 -3.931 1.00 0.00 O ATOM 173 CB ARG A 12 5.504 -12.972 -5.898 1.00 0.00 C ATOM 174 CG ARG A 12 4.553 -13.378 -7.012 1.00 0.00 C ATOM 175 CD ARG A 12 5.185 -14.400 -7.944 1.00 0.00 C ATOM 176 NE ARG A 12 5.412 -13.854 -9.281 1.00 0.00 N ATOM 177 CZ ARG A 12 6.438 -13.065 -9.595 1.00 0.00 C ATOM 178 NH1 ARG A 12 7.330 -12.727 -8.674 1.00 0.00 N ATOM 179 NH2 ARG A 12 6.572 -12.615 -10.835 1.00 0.00 N ATOM 0 H ARG A 12 6.214 -11.181 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 12 3.759 -12.491 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.033 -12.067 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.254 -13.752 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.642 -13.793 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.262 -12.496 -7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.133 -14.737 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.539 -15.275 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 12 4.746 -14.091 -10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.233 -13.072 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.114 -12.122 -8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.890 -12.873 -11.548 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.358 -12.011 -11.076 1.00 0.00 H new ATOM 193 N CYS A 13 5.757 -13.936 -2.678 1.00 0.00 N ATOM 194 CA CYS A 13 5.961 -15.050 -1.748 1.00 0.00 C ATOM 195 C CYS A 13 4.688 -15.881 -1.544 1.00 0.00 C ATOM 196 O CYS A 13 4.494 -16.897 -2.212 1.00 0.00 O ATOM 197 CB CYS A 13 6.474 -14.530 -0.394 1.00 0.00 C ATOM 198 SG CYS A 13 5.992 -12.811 0.006 1.00 0.00 S ATOM 0 H CYS A 13 6.344 -13.125 -2.482 1.00 0.00 H new ATOM 0 HA CYS A 13 6.710 -15.705 -2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.106 -15.187 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.562 -14.598 -0.384 1.00 0.00 H new ATOM 203 N LYS A 14 3.832 -15.458 -0.617 1.00 0.00 N ATOM 204 CA LYS A 14 2.596 -16.184 -0.334 1.00 0.00 C ATOM 205 C LYS A 14 1.363 -15.408 -0.802 1.00 0.00 C ATOM 206 O LYS A 14 0.448 -15.150 -0.020 1.00 0.00 O ATOM 207 CB LYS A 14 2.496 -16.484 1.165 1.00 0.00 C ATOM 208 CG LYS A 14 2.863 -17.914 1.523 1.00 0.00 C ATOM 209 CD LYS A 14 4.351 -18.169 1.344 1.00 0.00 C ATOM 210 CE LYS A 14 4.777 -19.469 2.006 1.00 0.00 C ATOM 211 NZ LYS A 14 4.382 -19.517 3.441 1.00 0.00 N ATOM 0 H LYS A 14 3.970 -14.621 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 14 2.625 -17.121 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.151 -15.803 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.478 -16.284 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.580 -18.116 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.297 -18.604 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.590 -18.206 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.917 -17.340 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.328 -20.310 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.858 -19.581 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.004 -20.176 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.469 -18.568 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.397 -19.840 3.519 1.00 0.00 H new ATOM 225 N ALA A 15 1.337 -15.047 -2.084 1.00 0.00 N ATOM 226 CA ALA A 15 0.208 -14.310 -2.652 1.00 0.00 C ATOM 227 C ALA A 15 -1.120 -14.971 -2.289 1.00 0.00 C ATOM 228 O ALA A 15 -1.295 -16.175 -2.481 1.00 0.00 O ATOM 229 CB ALA A 15 0.353 -14.209 -4.162 1.00 0.00 C ATOM 0 H ALA A 15 2.083 -15.252 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 15 0.211 -13.306 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.493 -13.658 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.278 -13.686 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.378 -15.210 -4.593 1.00 0.00 H new ATOM 235 N SER A 16 -2.053 -14.181 -1.762 1.00 0.00 N ATOM 236 CA SER A 16 -3.359 -14.708 -1.373 1.00 0.00 C ATOM 237 C SER A 16 -4.344 -13.592 -1.023 1.00 0.00 C ATOM 238 O SER A 16 -5.536 -13.698 -1.313 1.00 0.00 O ATOM 239 CB SER A 16 -3.211 -15.657 -0.182 1.00 0.00 C ATOM 240 OG SER A 16 -2.980 -16.987 -0.615 1.00 0.00 O ATOM 0 H SER A 16 -1.931 -13.182 -1.596 1.00 0.00 H new ATOM 0 HA SER A 16 -3.759 -15.251 -2.229 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.385 -15.328 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.113 -15.622 0.429 1.00 0.00 H new ATOM 0 HG SER A 16 -2.488 -16.974 -1.462 1.00 0.00 H new ATOM 246 N PHE A 17 -3.849 -12.529 -0.393 1.00 0.00 N ATOM 247 CA PHE A 17 -4.702 -11.412 -0.004 1.00 0.00 C ATOM 248 C PHE A 17 -4.432 -10.191 -0.873 1.00 0.00 C ATOM 249 O PHE A 17 -3.481 -10.168 -1.652 1.00 0.00 O ATOM 250 CB PHE A 17 -4.479 -11.059 1.468 1.00 0.00 C ATOM 251 CG PHE A 17 -4.853 -12.163 2.415 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.101 -13.324 2.477 1.00 0.00 C ATOM 253 CD2 PHE A 17 -5.958 -12.039 3.243 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.442 -14.342 3.347 1.00 0.00 C ATOM 255 CE2 PHE A 17 -6.304 -13.053 4.116 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.545 -14.206 4.168 1.00 0.00 C ATOM 0 H PHE A 17 -2.866 -12.419 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.739 -11.716 -0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.430 -10.804 1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.061 -10.170 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.238 -13.435 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.555 -11.140 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.847 -15.243 3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.167 -12.944 4.757 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.813 -15.000 4.849 1.00 0.00 H new ATOM 266 N GLU A 18 -5.275 -9.175 -0.729 1.00 0.00 N ATOM 267 CA GLU A 18 -5.125 -7.947 -1.496 1.00 0.00 C ATOM 268 C GLU A 18 -4.832 -6.769 -0.571 1.00 0.00 C ATOM 269 O GLU A 18 -5.348 -6.704 0.545 1.00 0.00 O ATOM 270 CB GLU A 18 -6.386 -7.672 -2.317 1.00 0.00 C ATOM 271 CG GLU A 18 -6.288 -8.143 -3.758 1.00 0.00 C ATOM 272 CD GLU A 18 -7.416 -7.616 -4.621 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.587 -7.725 -4.200 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.131 -7.094 -5.719 1.00 0.00 O ATOM 0 H GLU A 18 -6.069 -9.179 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.284 -8.071 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.234 -8.163 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.590 -6.601 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.334 -7.822 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.296 -9.233 -3.782 1.00 0.00 H new ATOM 281 N ARG A 19 -4.000 -5.844 -1.036 1.00 0.00 N ATOM 282 CA ARG A 19 -3.640 -4.677 -0.237 1.00 0.00 C ATOM 283 C ARG A 19 -3.532 -3.421 -1.099 1.00 0.00 C ATOM 284 O ARG A 19 -3.552 -3.494 -2.326 1.00 0.00 O ATOM 285 CB ARG A 19 -2.319 -4.926 0.494 1.00 0.00 C ATOM 286 CG ARG A 19 -2.471 -5.794 1.733 1.00 0.00 C ATOM 287 CD ARG A 19 -1.450 -5.432 2.798 1.00 0.00 C ATOM 288 NE ARG A 19 -1.805 -5.983 4.103 1.00 0.00 N ATOM 289 CZ ARG A 19 -0.934 -6.167 5.094 1.00 0.00 C ATOM 290 NH1 ARG A 19 0.343 -5.841 4.934 1.00 0.00 N ATOM 291 NH2 ARG A 19 -1.342 -6.679 6.248 1.00 0.00 N ATOM 0 H ARG A 19 -3.564 -5.878 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.432 -4.516 0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.617 -5.402 -0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.885 -3.968 0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.476 -5.678 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.356 -6.843 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.469 -5.804 2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.371 -4.347 2.871 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.778 -6.242 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.662 -5.447 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.005 -5.984 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.322 -6.931 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.676 -6.820 7.007 1.00 0.00 H new ATOM 305 N TRP A 20 -3.422 -2.269 -0.441 1.00 0.00 N ATOM 306 CA TRP A 20 -3.313 -0.992 -1.139 1.00 0.00 C ATOM 307 C TRP A 20 -2.001 -0.289 -0.803 1.00 0.00 C ATOM 308 O TRP A 20 -1.435 -0.486 0.271 1.00 0.00 O ATOM 309 CB TRP A 20 -4.493 -0.090 -0.780 1.00 0.00 C ATOM 310 CG TRP A 20 -5.794 -0.565 -1.348 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.602 -1.540 -0.840 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.435 -0.090 -2.535 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.708 -1.699 -1.636 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.629 -0.820 -2.683 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.119 0.884 -3.486 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.504 -0.609 -3.743 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -6.989 1.094 -4.539 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.170 0.351 -4.661 1.00 0.00 C ATOM 0 H TRP A 20 -3.406 -2.195 0.576 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.328 -1.194 -2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.578 -0.029 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.293 0.919 -1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.400 -2.105 0.058 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.465 -2.363 -1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.211 1.462 -3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.415 -1.182 -3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.754 1.844 -5.280 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -8.830 0.539 -5.495 1.00 0.00 H new ATOM 329 N TYR A 21 -1.519 0.524 -1.738 1.00 0.00 N ATOM 330 CA TYR A 21 -0.266 1.255 -1.558 1.00 0.00 C ATOM 331 C TYR A 21 -0.395 2.673 -2.102 1.00 0.00 C ATOM 332 O TYR A 21 -1.243 2.945 -2.951 1.00 0.00 O ATOM 333 CB TYR A 21 0.880 0.526 -2.272 1.00 0.00 C ATOM 334 CG TYR A 21 0.435 -0.172 -3.534 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.458 -1.229 -3.474 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.876 0.245 -4.783 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.908 -1.848 -4.616 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.436 -0.380 -5.935 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.461 -1.423 -5.845 1.00 0.00 C ATOM 340 OH TYR A 21 -0.934 -2.026 -6.990 1.00 0.00 O ATOM 0 H TYR A 21 -1.979 0.695 -2.632 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.046 1.306 -0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.664 1.243 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.318 -0.206 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.807 -1.573 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.572 1.068 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.610 -2.666 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.793 -0.053 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.520 -1.609 -7.774 1.00 0.00 H new ATOM 350 N PHE A 22 0.450 3.573 -1.613 1.00 0.00 N ATOM 351 CA PHE A 22 0.420 4.960 -2.061 1.00 0.00 C ATOM 352 C PHE A 22 1.305 5.155 -3.288 1.00 0.00 C ATOM 353 O PHE A 22 2.531 5.111 -3.195 1.00 0.00 O ATOM 354 CB PHE A 22 0.871 5.895 -0.938 1.00 0.00 C ATOM 355 CG PHE A 22 0.087 7.174 -0.877 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.316 8.185 -1.797 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.876 7.365 0.099 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.403 9.364 -1.743 1.00 0.00 C ATOM 359 CE2 PHE A 22 -1.600 8.541 0.156 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.363 9.542 -0.766 1.00 0.00 C ATOM 0 H PHE A 22 1.161 3.369 -0.910 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.607 5.203 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.780 5.376 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.927 6.131 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.064 8.050 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.064 6.587 0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.214 10.146 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.350 8.677 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.927 10.462 -0.723 1.00 0.00 H new ATOM 370 N ASN A 23 0.673 5.370 -4.437 1.00 0.00 N ATOM 371 CA ASN A 23 1.400 5.573 -5.683 1.00 0.00 C ATOM 372 C ASN A 23 1.710 7.051 -5.899 1.00 0.00 C ATOM 373 O ASN A 23 1.407 7.616 -6.950 1.00 0.00 O ATOM 374 CB ASN A 23 0.593 5.029 -6.865 1.00 0.00 C ATOM 375 CG ASN A 23 1.478 4.560 -8.003 1.00 0.00 C ATOM 376 OD1 ASN A 23 1.500 3.377 -8.342 1.00 0.00 O ATOM 377 ND2 ASN A 23 2.215 5.489 -8.600 1.00 0.00 N ATOM 0 H ASN A 23 -0.342 5.408 -4.530 1.00 0.00 H new ATOM 0 HA ASN A 23 2.343 5.030 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.028 4.200 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.081 5.805 -7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.830 5.233 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.166 6.458 -8.287 1.00 0.00 H new ATOM 384 N GLY A 24 2.318 7.673 -4.893 1.00 0.00 N ATOM 385 CA GLY A 24 2.664 9.078 -4.988 1.00 0.00 C ATOM 386 C GLY A 24 1.449 9.984 -4.963 1.00 0.00 C ATOM 387 O GLY A 24 1.270 10.767 -4.029 1.00 0.00 O ATOM 0 H GLY A 24 2.577 7.227 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.325 9.341 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.221 9.249 -5.909 1.00 0.00 H new ATOM 391 N ARG A 25 0.618 9.883 -5.993 1.00 0.00 N ATOM 392 CA ARG A 25 -0.583 10.705 -6.089 1.00 0.00 C ATOM 393 C ARG A 25 -1.840 9.875 -5.843 1.00 0.00 C ATOM 394 O ARG A 25 -2.728 10.284 -5.095 1.00 0.00 O ATOM 395 CB ARG A 25 -0.654 11.372 -7.466 1.00 0.00 C ATOM 396 CG ARG A 25 -1.931 12.162 -7.701 1.00 0.00 C ATOM 397 CD ARG A 25 -3.005 11.299 -8.344 1.00 0.00 C ATOM 398 NE ARG A 25 -3.032 11.450 -9.797 1.00 0.00 N ATOM 399 CZ ARG A 25 -3.923 10.855 -10.587 1.00 0.00 C ATOM 400 NH1 ARG A 25 -4.863 10.075 -10.070 1.00 0.00 N ATOM 401 NH2 ARG A 25 -3.874 11.042 -11.899 1.00 0.00 N ATOM 0 H ARG A 25 0.753 9.240 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.530 11.475 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.201 12.039 -7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.566 10.605 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.297 12.555 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.719 13.019 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.829 10.253 -8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.979 11.567 -7.934 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.327 12.046 -10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.906 9.928 -9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.543 9.622 -10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.154 11.641 -12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.556 10.586 -12.505 1.00 0.00 H new ATOM 415 N THR A 26 -1.913 8.711 -6.480 1.00 0.00 N ATOM 416 CA THR A 26 -3.068 7.831 -6.329 1.00 0.00 C ATOM 417 C THR A 26 -2.683 6.538 -5.618 1.00 0.00 C ATOM 418 O THR A 26 -1.508 6.182 -5.550 1.00 0.00 O ATOM 419 CB THR A 26 -3.675 7.512 -7.697 1.00 0.00 C ATOM 420 OG1 THR A 26 -4.849 6.732 -7.555 1.00 0.00 O ATOM 421 CG2 THR A 26 -2.731 6.759 -8.610 1.00 0.00 C ATOM 0 H THR A 26 -1.189 8.355 -7.104 1.00 0.00 H new ATOM 0 HA THR A 26 -3.809 8.350 -5.721 1.00 0.00 H new ATOM 0 HB THR A 26 -3.896 8.480 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.223 6.540 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.224 6.565 -9.563 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.835 7.356 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.453 5.813 -8.146 1.00 0.00 H new ATOM 429 N CYS A 27 -3.684 5.839 -5.090 1.00 0.00 N ATOM 430 CA CYS A 27 -3.450 4.585 -4.384 1.00 0.00 C ATOM 431 C CYS A 27 -3.757 3.387 -5.281 1.00 0.00 C ATOM 432 O CYS A 27 -4.895 3.188 -5.705 1.00 0.00 O ATOM 433 CB CYS A 27 -4.302 4.523 -3.113 1.00 0.00 C ATOM 434 SG CYS A 27 -3.446 5.113 -1.616 1.00 0.00 S ATOM 0 H CYS A 27 -4.663 6.120 -5.138 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.397 4.544 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.203 5.119 -3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.623 3.494 -2.953 1.00 0.00 H new ATOM 439 N ALA A 28 -2.729 2.593 -5.559 1.00 0.00 N ATOM 440 CA ALA A 28 -2.867 1.409 -6.399 1.00 0.00 C ATOM 441 C ALA A 28 -3.215 0.183 -5.555 1.00 0.00 C ATOM 442 O ALA A 28 -3.311 0.275 -4.331 1.00 0.00 O ATOM 443 CB ALA A 28 -1.609 1.185 -7.219 1.00 0.00 C ATOM 0 H ALA A 28 -1.783 2.750 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.690 1.572 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.732 0.297 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.431 2.051 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.759 1.046 -6.551 1.00 0.00 H new ATOM 449 N LYS A 29 -3.429 -0.957 -6.208 1.00 0.00 N ATOM 450 CA LYS A 29 -3.797 -2.180 -5.498 1.00 0.00 C ATOM 451 C LYS A 29 -3.120 -3.411 -6.095 1.00 0.00 C ATOM 452 O LYS A 29 -2.895 -3.492 -7.303 1.00 0.00 O ATOM 453 CB LYS A 29 -5.316 -2.365 -5.520 1.00 0.00 C ATOM 454 CG LYS A 29 -5.792 -3.593 -4.762 1.00 0.00 C ATOM 455 CD LYS A 29 -7.235 -3.935 -5.101 1.00 0.00 C ATOM 456 CE LYS A 29 -8.071 -4.136 -3.848 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.388 -4.761 -4.153 1.00 0.00 N ATOM 0 H LYS A 29 -3.355 -1.060 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.454 -2.076 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.787 -1.480 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.650 -2.436 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.150 -4.441 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.701 -3.418 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.667 -3.136 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.262 -4.841 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.525 -4.765 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.230 -3.175 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.072 -4.507 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.730 -4.418 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.282 -5.795 -4.187 1.00 0.00 H new ATOM 471 N PHE A 30 -2.799 -4.366 -5.226 1.00 0.00 N ATOM 472 CA PHE A 30 -2.146 -5.602 -5.636 1.00 0.00 C ATOM 473 C PHE A 30 -2.406 -6.710 -4.618 1.00 0.00 C ATOM 474 O PHE A 30 -3.019 -6.475 -3.577 1.00 0.00 O ATOM 475 CB PHE A 30 -0.635 -5.385 -5.812 1.00 0.00 C ATOM 476 CG PHE A 30 0.049 -4.679 -4.664 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.543 -4.591 -3.409 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.300 -4.108 -4.845 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.100 -3.951 -2.367 1.00 0.00 C ATOM 480 CE2 PHE A 30 1.946 -3.469 -3.803 1.00 0.00 C ATOM 481 CZ PHE A 30 1.345 -3.390 -2.563 1.00 0.00 C ATOM 0 H PHE A 30 -2.983 -4.304 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.566 -5.906 -6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.159 -6.355 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.470 -4.809 -6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.517 -5.028 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.776 -4.163 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.373 -3.890 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.921 -3.032 -3.959 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.848 -2.890 -1.748 1.00 0.00 H new ATOM 491 N ILE A 31 -1.940 -7.915 -4.919 1.00 0.00 N ATOM 492 CA ILE A 31 -2.125 -9.044 -4.017 1.00 0.00 C ATOM 493 C ILE A 31 -0.938 -9.164 -3.069 1.00 0.00 C ATOM 494 O ILE A 31 0.187 -9.404 -3.501 1.00 0.00 O ATOM 495 CB ILE A 31 -2.304 -10.357 -4.798 1.00 0.00 C ATOM 496 CG1 ILE A 31 -3.468 -10.215 -5.790 1.00 0.00 C ATOM 497 CG2 ILE A 31 -2.531 -11.522 -3.839 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.208 -11.507 -6.073 1.00 0.00 C ATOM 0 H ILE A 31 -1.434 -8.135 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.031 -8.863 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.395 -10.567 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.175 -9.483 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.083 -9.817 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.656 -12.443 -4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.672 -11.619 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.428 -11.337 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.013 -11.317 -6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.517 -12.237 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.626 -11.897 -5.145 1.00 0.00 H new ATOM 510 N TYR A 32 -1.197 -8.987 -1.778 1.00 0.00 N ATOM 511 CA TYR A 32 -0.146 -9.057 -0.769 1.00 0.00 C ATOM 512 C TYR A 32 0.040 -10.483 -0.275 1.00 0.00 C ATOM 513 O TYR A 32 -0.793 -11.016 0.458 1.00 0.00 O ATOM 514 CB TYR A 32 -0.493 -8.139 0.405 1.00 0.00 C ATOM 515 CG TYR A 32 0.642 -7.933 1.384 1.00 0.00 C ATOM 516 CD1 TYR A 32 0.891 -8.853 2.394 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.459 -6.811 1.301 1.00 0.00 C ATOM 518 CE1 TYR A 32 1.923 -8.663 3.294 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.491 -6.615 2.198 1.00 0.00 C ATOM 520 CZ TYR A 32 2.719 -7.542 3.192 1.00 0.00 C ATOM 521 OH TYR A 32 3.747 -7.349 4.086 1.00 0.00 O ATOM 0 H TYR A 32 -2.127 -8.794 -1.405 1.00 0.00 H new ATOM 0 HA TYR A 32 0.789 -8.728 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.803 -7.169 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.347 -8.556 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.268 -9.731 2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.284 -6.082 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.105 -9.389 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.117 -5.738 2.121 1.00 0.00 H new ATOM 0 HH TYR A 32 4.088 -8.218 4.385 1.00 0.00 H new ATOM 531 N GLY A 33 1.141 -11.097 -0.694 1.00 0.00 N ATOM 532 CA GLY A 33 1.425 -12.463 -0.301 1.00 0.00 C ATOM 533 C GLY A 33 2.030 -12.570 1.085 1.00 0.00 C ATOM 534 O GLY A 33 1.843 -13.575 1.771 1.00 0.00 O ATOM 0 H GLY A 33 1.843 -10.671 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.503 -13.043 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.108 -12.908 -1.024 1.00 0.00 H new ATOM 538 N GLY A 34 2.755 -11.538 1.501 1.00 0.00 N ATOM 539 CA GLY A 34 3.371 -11.558 2.815 1.00 0.00 C ATOM 540 C GLY A 34 4.655 -10.752 2.889 1.00 0.00 C ATOM 541 O GLY A 34 5.150 -10.472 3.981 1.00 0.00 O ATOM 0 H GLY A 34 2.927 -10.693 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.663 -11.168 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.582 -12.590 3.094 1.00 0.00 H new ATOM 545 N CYS A 35 5.200 -10.372 1.735 1.00 0.00 N ATOM 546 CA CYS A 35 6.431 -9.591 1.704 1.00 0.00 C ATOM 547 C CYS A 35 6.146 -8.168 1.233 1.00 0.00 C ATOM 548 O CYS A 35 6.142 -7.883 0.032 1.00 0.00 O ATOM 549 CB CYS A 35 7.477 -10.263 0.807 1.00 0.00 C ATOM 550 SG CYS A 35 7.593 -12.074 1.018 1.00 0.00 S ATOM 0 H CYS A 35 4.811 -10.591 0.818 1.00 0.00 H new ATOM 0 HA CYS A 35 6.835 -9.543 2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.240 -10.044 -0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.452 -9.821 1.012 1.00 0.00 H new ATOM 555 N GLY A 36 5.890 -7.285 2.195 1.00 0.00 N ATOM 556 CA GLY A 36 5.586 -5.900 1.885 1.00 0.00 C ATOM 557 C GLY A 36 6.780 -5.131 1.355 1.00 0.00 C ATOM 558 O GLY A 36 7.469 -5.585 0.442 1.00 0.00 O ATOM 0 H GLY A 36 5.888 -7.507 3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.784 -5.867 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.214 -5.407 2.783 1.00 0.00 H new ATOM 562 N GLY A 37 7.020 -3.957 1.932 1.00 0.00 N ATOM 563 CA GLY A 37 8.133 -3.132 1.506 1.00 0.00 C ATOM 564 C GLY A 37 8.718 -2.318 2.643 1.00 0.00 C ATOM 565 O GLY A 37 9.902 -2.440 2.956 1.00 0.00 O ATOM 0 H GLY A 37 6.461 -3.563 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.910 -3.767 1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.801 -2.460 0.715 1.00 0.00 H new ATOM 569 N ASN A 38 7.887 -1.486 3.265 1.00 0.00 N ATOM 570 CA ASN A 38 8.336 -0.652 4.376 1.00 0.00 C ATOM 571 C ASN A 38 7.157 0.026 5.074 1.00 0.00 C ATOM 572 O ASN A 38 6.662 -0.466 6.088 1.00 0.00 O ATOM 573 CB ASN A 38 9.343 0.401 3.890 1.00 0.00 C ATOM 574 CG ASN A 38 9.122 0.807 2.444 1.00 0.00 C ATOM 575 OD1 ASN A 38 8.007 1.143 2.046 1.00 0.00 O ATOM 576 ND2 ASN A 38 10.187 0.778 1.653 1.00 0.00 N ATOM 0 H ASN A 38 6.903 -1.371 3.020 1.00 0.00 H new ATOM 0 HA ASN A 38 8.829 -1.302 5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.272 1.284 4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.354 0.008 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.100 1.041 0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.092 0.493 2.027 1.00 0.00 H new ATOM 583 N GLY A 39 6.716 1.162 4.536 1.00 0.00 N ATOM 584 CA GLY A 39 5.608 1.886 5.136 1.00 0.00 C ATOM 585 C GLY A 39 4.577 2.356 4.121 1.00 0.00 C ATOM 586 O GLY A 39 3.594 3.000 4.486 1.00 0.00 O ATOM 0 H GLY A 39 7.106 1.592 3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.119 1.245 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.997 2.750 5.675 1.00 0.00 H new ATOM 590 N ASN A 40 4.801 2.046 2.847 1.00 0.00 N ATOM 591 CA ASN A 40 3.882 2.455 1.790 1.00 0.00 C ATOM 592 C ASN A 40 2.790 1.407 1.560 1.00 0.00 C ATOM 593 O ASN A 40 1.922 1.586 0.705 1.00 0.00 O ATOM 594 CB ASN A 40 4.658 2.698 0.494 1.00 0.00 C ATOM 595 CG ASN A 40 3.767 3.131 -0.654 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.137 2.303 -1.312 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.713 4.433 -0.903 1.00 0.00 N ATOM 0 H ASN A 40 5.609 1.514 2.522 1.00 0.00 H new ATOM 0 HA ASN A 40 3.396 3.379 2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.416 3.462 0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.184 1.785 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.133 4.783 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.252 5.084 -0.332 1.00 0.00 H new ATOM 604 N LYS A 41 2.834 0.320 2.327 1.00 0.00 N ATOM 605 CA LYS A 41 1.843 -0.744 2.199 1.00 0.00 C ATOM 606 C LYS A 41 0.649 -0.489 3.117 1.00 0.00 C ATOM 607 O LYS A 41 0.800 0.038 4.218 1.00 0.00 O ATOM 608 CB LYS A 41 2.472 -2.099 2.528 1.00 0.00 C ATOM 609 CG LYS A 41 3.075 -2.168 3.922 1.00 0.00 C ATOM 610 CD LYS A 41 4.574 -1.914 3.894 1.00 0.00 C ATOM 611 CE LYS A 41 5.309 -2.812 4.876 1.00 0.00 C ATOM 612 NZ LYS A 41 4.639 -2.847 6.206 1.00 0.00 N ATOM 0 H LYS A 41 3.543 0.154 3.041 1.00 0.00 H new ATOM 0 HA LYS A 41 1.491 -0.755 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.713 -2.876 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.248 -2.318 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.592 -1.432 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.879 -3.148 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.955 -2.086 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.772 -0.870 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.366 -3.823 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.333 -2.458 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.339 -3.073 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.215 -1.919 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.895 -3.574 6.201 1.00 0.00 H new ATOM 626 N PHE A 42 -0.538 -0.868 2.652 1.00 0.00 N ATOM 627 CA PHE A 42 -1.761 -0.682 3.428 1.00 0.00 C ATOM 628 C PHE A 42 -2.778 -1.777 3.108 1.00 0.00 C ATOM 629 O PHE A 42 -2.727 -2.388 2.043 1.00 0.00 O ATOM 630 CB PHE A 42 -2.368 0.693 3.144 1.00 0.00 C ATOM 631 CG PHE A 42 -1.557 1.832 3.694 1.00 0.00 C ATOM 632 CD1 PHE A 42 -1.574 2.119 5.049 1.00 0.00 C ATOM 633 CD2 PHE A 42 -0.780 2.615 2.856 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.829 3.166 5.558 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.033 3.664 3.359 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.059 3.939 4.712 1.00 0.00 C ATOM 0 H PHE A 42 -0.679 -1.306 1.742 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.504 -0.745 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.473 0.819 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.371 0.733 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.176 1.518 5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.758 2.403 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.849 3.379 6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.569 4.267 2.695 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.523 4.758 5.108 1.00 0.00 H new ATOM 646 N PRO A 43 -3.718 -2.043 4.032 1.00 0.00 N ATOM 647 CA PRO A 43 -4.743 -3.074 3.842 1.00 0.00 C ATOM 648 C PRO A 43 -5.857 -2.632 2.896 1.00 0.00 C ATOM 649 O PRO A 43 -6.269 -3.388 2.016 1.00 0.00 O ATOM 650 CB PRO A 43 -5.293 -3.277 5.253 1.00 0.00 C ATOM 651 CG PRO A 43 -5.101 -1.962 5.926 1.00 0.00 C ATOM 652 CD PRO A 43 -3.849 -1.365 5.337 1.00 0.00 C ATOM 0 HA PRO A 43 -4.333 -3.976 3.387 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.345 -3.561 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.760 -4.071 5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.959 -1.310 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.002 -2.088 7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.937 -0.285 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.982 -1.547 5.972 1.00 0.00 H new ATOM 660 N THR A 44 -6.344 -1.409 3.084 1.00 0.00 N ATOM 661 CA THR A 44 -7.414 -0.876 2.246 1.00 0.00 C ATOM 662 C THR A 44 -6.990 0.426 1.576 1.00 0.00 C ATOM 663 O THR A 44 -5.912 0.956 1.848 1.00 0.00 O ATOM 664 CB THR A 44 -8.674 -0.643 3.082 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.341 -0.137 4.362 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.496 -1.897 3.284 1.00 0.00 C ATOM 0 H THR A 44 -6.016 -0.769 3.808 1.00 0.00 H new ATOM 0 HA THR A 44 -7.628 -1.609 1.468 1.00 0.00 H new ATOM 0 HB THR A 44 -9.268 0.075 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.160 0.007 4.880 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.375 -1.663 3.885 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.811 -2.285 2.316 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.895 -2.647 3.798 1.00 0.00 H new ATOM 674 N GLN A 45 -7.846 0.937 0.695 1.00 0.00 N ATOM 675 CA GLN A 45 -7.563 2.178 -0.017 1.00 0.00 C ATOM 676 C GLN A 45 -7.774 3.385 0.891 1.00 0.00 C ATOM 677 O GLN A 45 -7.099 4.405 0.752 1.00 0.00 O ATOM 678 CB GLN A 45 -8.454 2.297 -1.254 1.00 0.00 C ATOM 679 CG GLN A 45 -8.154 3.519 -2.104 1.00 0.00 C ATOM 680 CD GLN A 45 -9.394 4.086 -2.769 1.00 0.00 C ATOM 681 OE1 GLN A 45 -10.467 3.485 -2.723 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.252 5.249 -3.392 1.00 0.00 N ATOM 0 H GLN A 45 -8.741 0.510 0.458 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.519 2.157 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.335 1.402 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.497 2.331 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.697 4.287 -1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.425 3.254 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.344 5.713 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.051 5.679 -3.857 1.00 0.00 H new ATOM 691 N GLU A 46 -8.713 3.262 1.821 1.00 0.00 N ATOM 692 CA GLU A 46 -9.009 4.344 2.752 1.00 0.00 C ATOM 693 C GLU A 46 -7.850 4.553 3.721 1.00 0.00 C ATOM 694 O GLU A 46 -7.599 5.670 4.171 1.00 0.00 O ATOM 695 CB GLU A 46 -10.292 4.041 3.529 1.00 0.00 C ATOM 696 CG GLU A 46 -11.146 5.270 3.795 1.00 0.00 C ATOM 697 CD GLU A 46 -12.316 5.384 2.837 1.00 0.00 C ATOM 698 OE1 GLU A 46 -13.384 4.809 3.134 1.00 0.00 O ATOM 699 OE2 GLU A 46 -12.164 6.049 1.791 1.00 0.00 O ATOM 0 H GLU A 46 -9.282 2.425 1.951 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.151 5.259 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.881 3.313 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.030 3.578 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.521 5.233 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.526 6.163 3.714 1.00 0.00 H new ATOM 706 N ALA A 47 -7.149 3.469 4.036 1.00 0.00 N ATOM 707 CA ALA A 47 -6.015 3.529 4.952 1.00 0.00 C ATOM 708 C ALA A 47 -4.862 4.327 4.352 1.00 0.00 C ATOM 709 O ALA A 47 -4.371 5.279 4.959 1.00 0.00 O ATOM 710 CB ALA A 47 -5.556 2.125 5.313 1.00 0.00 C ATOM 0 H ALA A 47 -7.346 2.537 3.670 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.340 4.039 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.709 2.184 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.374 1.587 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.256 1.597 4.408 1.00 0.00 H new ATOM 716 N CYS A 48 -4.430 3.930 3.159 1.00 0.00 N ATOM 717 CA CYS A 48 -3.331 4.607 2.481 1.00 0.00 C ATOM 718 C CYS A 48 -3.653 6.080 2.250 1.00 0.00 C ATOM 719 O CYS A 48 -2.758 6.922 2.212 1.00 0.00 O ATOM 720 CB CYS A 48 -3.023 3.921 1.147 1.00 0.00 C ATOM 721 SG CYS A 48 -4.338 4.088 -0.105 1.00 0.00 S ATOM 0 H CYS A 48 -4.824 3.144 2.643 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.452 4.546 3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.099 4.335 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.844 2.861 1.330 1.00 0.00 H new ATOM 726 N MET A 49 -4.938 6.385 2.092 1.00 0.00 N ATOM 727 CA MET A 49 -5.374 7.756 1.859 1.00 0.00 C ATOM 728 C MET A 49 -5.572 8.506 3.174 1.00 0.00 C ATOM 729 O MET A 49 -5.373 9.718 3.243 1.00 0.00 O ATOM 730 CB MET A 49 -6.675 7.769 1.054 1.00 0.00 C ATOM 731 CG MET A 49 -6.510 7.282 -0.377 1.00 0.00 C ATOM 732 SD MET A 49 -6.152 8.621 -1.529 1.00 0.00 S ATOM 733 CE MET A 49 -7.221 8.184 -2.899 1.00 0.00 C ATOM 0 H MET A 49 -5.694 5.701 2.121 1.00 0.00 H new ATOM 0 HA MET A 49 -4.593 8.262 1.291 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.411 7.144 1.559 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.074 8.783 1.040 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.704 6.549 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.421 6.772 -0.690 1.00 0.00 H new ATOM 0 HE1 MET A 49 -7.249 9.005 -3.615 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.838 7.289 -3.388 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.228 7.992 -2.528 1.00 0.00 H new ATOM 743 N LYS A 50 -5.971 7.782 4.212 1.00 0.00 N ATOM 744 CA LYS A 50 -6.202 8.388 5.520 1.00 0.00 C ATOM 745 C LYS A 50 -4.937 8.381 6.380 1.00 0.00 C ATOM 746 O LYS A 50 -4.957 8.840 7.523 1.00 0.00 O ATOM 747 CB LYS A 50 -7.334 7.658 6.250 1.00 0.00 C ATOM 748 CG LYS A 50 -6.951 6.269 6.742 1.00 0.00 C ATOM 749 CD LYS A 50 -6.877 6.214 8.259 1.00 0.00 C ATOM 750 CE LYS A 50 -7.047 4.794 8.773 1.00 0.00 C ATOM 751 NZ LYS A 50 -6.492 4.630 10.145 1.00 0.00 N ATOM 0 H LYS A 50 -6.141 6.777 4.175 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.488 9.427 5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.653 8.260 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.190 7.573 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.681 5.542 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.987 5.986 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.918 6.610 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.651 6.852 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.105 4.533 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.550 4.100 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.909 3.788 10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.460 4.517 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.719 5.470 10.714 1.00 0.00 H new ATOM 765 N ARG A 51 -3.843 7.850 5.840 1.00 0.00 N ATOM 766 CA ARG A 51 -2.588 7.782 6.582 1.00 0.00 C ATOM 767 C ARG A 51 -1.546 8.751 6.026 1.00 0.00 C ATOM 768 O ARG A 51 -0.792 9.360 6.784 1.00 0.00 O ATOM 769 CB ARG A 51 -2.035 6.356 6.552 1.00 0.00 C ATOM 770 CG ARG A 51 -2.816 5.380 7.418 1.00 0.00 C ATOM 771 CD ARG A 51 -2.375 5.445 8.872 1.00 0.00 C ATOM 772 NE ARG A 51 -3.373 6.092 9.720 1.00 0.00 N ATOM 773 CZ ARG A 51 -3.410 5.973 11.045 1.00 0.00 C ATOM 774 NH1 ARG A 51 -2.507 5.235 11.677 1.00 0.00 N ATOM 775 NH2 ARG A 51 -4.353 6.595 11.740 1.00 0.00 N ATOM 0 H ARG A 51 -3.800 7.463 4.897 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.800 8.072 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.036 5.997 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.997 6.371 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.881 5.604 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.678 4.367 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.187 4.436 9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.433 5.990 8.941 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.084 6.669 9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.779 4.755 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.540 5.147 12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.049 7.164 11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.382 6.504 12.756 1.00 0.00 H new ATOM 789 N CYS A 52 -1.494 8.880 4.704 1.00 0.00 N ATOM 790 CA CYS A 52 -0.522 9.767 4.068 1.00 0.00 C ATOM 791 C CYS A 52 -1.199 10.934 3.351 1.00 0.00 C ATOM 792 O CYS A 52 -0.607 12.002 3.197 1.00 0.00 O ATOM 793 CB CYS A 52 0.340 8.981 3.079 1.00 0.00 C ATOM 794 SG CYS A 52 1.762 9.915 2.427 1.00 0.00 S ATOM 0 H CYS A 52 -2.107 8.387 4.055 1.00 0.00 H new ATOM 0 HA CYS A 52 0.108 10.180 4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.705 8.079 3.569 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.284 8.660 2.245 1.00 0.00 H new ATOM 799 N ALA A 53 -2.435 10.729 2.912 1.00 0.00 N ATOM 800 CA ALA A 53 -3.173 11.774 2.209 1.00 0.00 C ATOM 801 C ALA A 53 -3.862 12.719 3.189 1.00 0.00 C ATOM 802 O ALA A 53 -4.113 13.882 2.870 1.00 0.00 O ATOM 803 CB ALA A 53 -4.189 11.159 1.260 1.00 0.00 C ATOM 0 H ALA A 53 -2.946 9.854 3.029 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.458 12.357 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.731 11.951 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.674 10.536 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.892 10.548 1.826 1.00 0.00 H new ATOM 809 N LYS A 54 -4.167 12.215 4.380 1.00 0.00 N ATOM 810 CA LYS A 54 -4.828 13.020 5.399 1.00 0.00 C ATOM 811 C LYS A 54 -3.808 13.772 6.249 1.00 0.00 C ATOM 812 O LYS A 54 -3.696 14.996 6.163 1.00 0.00 O ATOM 813 CB LYS A 54 -5.703 12.137 6.290 1.00 0.00 C ATOM 814 CG LYS A 54 -7.101 12.694 6.511 1.00 0.00 C ATOM 815 CD LYS A 54 -8.173 11.675 6.158 1.00 0.00 C ATOM 816 CE LYS A 54 -8.678 11.866 4.736 1.00 0.00 C ATOM 817 NZ LYS A 54 -9.933 12.664 4.693 1.00 0.00 N ATOM 0 H LYS A 54 -3.967 11.255 4.662 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.459 13.751 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.782 11.147 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.214 12.011 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.213 12.994 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.236 13.590 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.770 10.668 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.005 11.765 6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.911 12.364 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.852 10.892 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.243 12.771 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.673 12.177 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.761 13.603 5.105 1.00 0.00 H new ATOM 831 N ALA A 55 -3.068 13.034 7.069 1.00 0.00 N ATOM 832 CA ALA A 55 -2.058 13.632 7.934 1.00 0.00 C ATOM 833 C ALA A 55 -0.821 14.035 7.140 1.00 0.00 C ATOM 834 O ALA A 55 -0.442 15.225 7.201 1.00 0.00 O ATOM 835 CB ALA A 55 -1.682 12.668 9.049 1.00 0.00 C ATOM 836 OXT ALA A 55 -0.240 13.159 6.465 1.00 0.00 O ATOM 0 H ALA A 55 -3.149 12.021 7.153 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.482 14.534 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.927 13.127 9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.566 12.435 9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.283 11.750 8.617 1.00 0.00 H new